In-Silico Structure database (LMISSD)
| |
LM ID | LMGP06019AA9 |
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Common Name | PI(10:0/20:0) |
Systematic Name | 1-decanoyl-2-eicosanoyl-sn-glycero-3-phosphoinositol |
Synonyms | PI(30:0); PI(10:0_20:0) |
Exact Mass | |
Formula | C39H75O13P |
Category | Glycerophospholipids [GP] |
Main Class | Glycerophosphoinositols [GP06] |
Sub Class | Diacylglycerophosphoinositols [GP0601] |
PubChem Compound ID (CID) | - |
InChIKey | NZNXKVZAMYQBDQ-FVAANCMESA-N |
InChI | InChI=1S/C39H75O13P/c1-3-5-7-9-11-12-13-14-15-16-17-18-19-20-22-24-26-28-33(41)5 1-31(29-49-32(40)27-25-23-21-10-8-6-4-2)30-50-53(47,48)52-39-37(45)35(43)34(42)3 6(44)38(39)46/h31,34-39,42-46H,3-30H2,1-2H3,(H,47,48)/t31-,34?,35-,36?,37?,38?,3 9-/m1/s1 |
SMILES | [C@]([H])(OC(CCCCCCCCCCCCCCCCCCC)=O)(COP(=O)(O)O[C@@H]1C(O)[C@H](O)C(O)C(O)C1O)C OC(CCCCCCCCC)=O |
MS Spectra | - Predict MS/MS spectrum (Neg. mode) |
Status | Active (generated by computational methods) |